N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide

C14H32N2O3S — CID 106080388

IUPACN-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)CCCCNC(C)C
InChIInChI=1S/C14H32N2O3S/c1-4-5-11-19-12-8-10-16-20(17,18)13-7-6-9-15-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyBDLCYRPXWLWDOZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.89
Rot. Bonds14

About N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106080388) has the molecular formula C14H32N2O3S and a molecular weight of 308.49 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106080388
Molecular FormulaC14H32N2O3S
Molecular Weight308.49 g/mol
Exact Mass308.21
IUPAC NameN-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)CCCCNC(C)C
InChIInChI=1S/C14H32N2O3S/c1-4-5-11-19-12-8-10-16-20(17,18)13-7-6-9-15-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyBDLCYRPXWLWDOZ-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 51.89
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

2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
N-[2-(3-methylbutoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106018612
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
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
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106064537
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106080388) is N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide is CCCCOCCCNS(=O)(=O)CCCCNC(C)C.
What is the InChIKey of N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is BDLCYRPXWLWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3S/c1-4-5-11-19-12-8-10-16-20(17,18)13-7-6-9-15-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 308.49 g/mol, XLogP of 1.89, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106080388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).