5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide

C18H27FN2O3S — CID 135218464

IUPAC5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
SMILESNCCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C18H27FN2O3S/c19-16-7-6-15(12-17(16)24-13-14-4-5-14)18(8-9-18)21-25(22,23)11-3-1-2-10-20/h6-7,12,14,21H,1-5,8-11,13,20H2
InChIKeyZKBDEHMSGIWELA-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.65
Rot. Bonds11

About 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide

5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide (PubChem CID 135218464) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
PubChem CID135218464
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
SMILESNCCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C18H27FN2O3S/c19-16-7-6-15(12-17(16)24-13-14-4-5-14)18(8-9-18)21-25(22,23)11-3-1-2-10-20/h6-7,12,14,21H,1-5,8-11,13,20H2
InChIKeyZKBDEHMSGIWELA-UHFFFAOYSA-N
XLogP2.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-7,7-dimethyloctane-1-sulfonamide
CID 146352826
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
CID 170119509
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide
CID 134553899
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134541362
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553826
4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
CID 142360229
N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]but-3-ene-1-sulfonamide
CID 162462712
6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
CID 134542398
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 140886486
N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide
CID 155370193
(E)-N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,4-dioxoimidazolidin-1-yl)pent-3-ene-1-sulfonamide
CID 162462714
(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide
CID 146228099

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide?
The IUPAC name of 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide (CID 135218464) is 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide?
The canonical SMILES for 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide is NCCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1.
What is the InChIKey of 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide?
The InChIKey is ZKBDEHMSGIWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c19-16-7-6-15(12-17(16)24-13-14-4-5-14)18(8-9-18)21-25(22,23)11-3-1-2-10-20/h6-7,12,14,21H,1-5,8-11,13,20H2.
What are the key properties of 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide?
5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide has a molecular weight of 370.49 g/mol, XLogP of 2.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide is sourced from PubChem (CID 135218464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).