N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide

C18H27NO3S — CID 155370193

IUPACN-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC1(c2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C18H27NO3S/c1-2-3-4-12-23(20,21)19-18(10-11-18)16-6-5-7-17(13-16)22-14-15-8-9-15/h5-7,13,15,19H,2-4,8-12,14H2,1H3
InChIKeyJRRVATZJLDOYAW-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.57
Rot. Bonds10

About N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide

N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide (PubChem CID 155370193) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide
PubChem CID155370193
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC NameN-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC1(c2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C18H27NO3S/c1-2-3-4-12-23(20,21)19-18(10-11-18)16-6-5-7-17(13-16)22-14-15-8-9-15/h5-7,13,15,19H,2-4,8-12,14H2,1H3
InChIKeyJRRVATZJLDOYAW-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide (CID 155370193) is N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide is CCCCCS(=O)(=O)NC1(c2cccc(OCC3CC3)c2)CC1.
What is the InChIKey of N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide?
The InChIKey is JRRVATZJLDOYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-2-3-4-12-23(20,21)19-18(10-11-18)16-6-5-7-17(13-16)22-14-15-8-9-15/h5-7,13,15,19H,2-4,8-12,14H2,1H3.
What are the key properties of N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide?
N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide is sourced from PubChem (CID 155370193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).