N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide

C12H27N3O2S — CID 55142009

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCCN(C)C1CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)13-7-4-10-18(16,17)14-8-9-15(3)12-5-6-12/h11-14H,4-10H2,1-3H3
InChIKeyYPNCENBOGFGQBS-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds10

About N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 55142009) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID55142009
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCCN(C)C1CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)13-7-4-10-18(16,17)14-8-9-15(3)12-5-6-12/h11-14H,4-10H2,1-3H3
InChIKeyYPNCENBOGFGQBS-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
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

3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79578945
N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
CID 79585976
N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
CID 110440573
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114516179
N-butyl-N-cyclopropyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972501
N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973998
N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412330

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide (CID 55142009) is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NCCN(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is YPNCENBOGFGQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)13-7-4-10-18(16,17)14-8-9-15(3)12-5-6-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 55142009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).