N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide

C14H30N2O3S — CID 106064537

IUPACN-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCCOC1CCCC1
InChIInChI=1S/C14H30N2O3S/c1-13(2)15-9-5-6-12-20(17,18)16-10-11-19-14-7-3-4-8-14/h13-16H,3-12H2,1-2H3
InChIKeyRNXJBQDNKDCJLK-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.64
Rot. Bonds11

About N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106064537) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106064537
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCCOC1CCCC1
InChIInChI=1S/C14H30N2O3S/c1-13(2)15-9-5-6-12-20(17,18)16-10-11-19-14-7-3-4-8-14/h13-16H,3-12H2,1-2H3
InChIKeyRNXJBQDNKDCJLK-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.64
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-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
N-[2-(3-methylbutoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106018612
4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
CID 63826618
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106091842
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843
N-(3-cyclohexyloxypropyl)propane-2-sulfonamide
CID 61363412
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106064537) is N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)NCCOC1CCCC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is RNXJBQDNKDCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-13(2)15-9-5-6-12-20(17,18)16-10-11-19-14-7-3-4-8-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 306.47 g/mol, XLogP of 1.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106064537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).