N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide

C13H28N2O3S — CID 106093077

IUPACN-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC1CCC(OC)C1
InChIInChI=1S/C13H28N2O3S/c1-3-8-14-9-4-5-10-19(16,17)15-12-6-7-13(11-12)18-2/h12-15H,3-11H2,1-2H3
InChIKeyHXGRYKAPWPWMNC-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.25
Rot. Bonds10

About N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide

N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 106093077) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide
PubChem CID106093077
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC1CCC(OC)C1
InChIInChI=1S/C13H28N2O3S/c1-3-8-14-9-4-5-10-19(16,17)15-12-6-7-13(11-12)18-2/h12-15H,3-11H2,1-2H3
InChIKeyHXGRYKAPWPWMNC-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.25
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-(oxan-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065335
N-cyclopropylhexane-1-sulfonamide
CID 67119181
N-(1,1-dioxothian-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065955
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001
N-[(4-ethylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106012793
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
CID 114142692
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141536

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide (CID 106093077) is N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NC1CCC(OC)C1.
What is the InChIKey of N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is HXGRYKAPWPWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-8-14-9-4-5-10-19(16,17)15-12-6-7-13(11-12)18-2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide?
N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106093077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).