N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide

C10H24N2O2S — CID 63765084

IUPACN-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN)C(CC)CC
InChIInChI=1S/C10H24N2O2S/c1-4-9-15(13,14)12(8-7-11)10(5-2)6-3/h10H,4-9,11H2,1-3H3
InChIKeyPVPYKIPZOUKBJM-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.18
Rot. Bonds8

About N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide

N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide (PubChem CID 63765084) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide
PubChem CID63765084
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN)C(CC)CC
InChIInChI=1S/C10H24N2O2S/c1-4-9-15(13,14)12(8-7-11)10(5-2)6-3/h10H,4-9,11H2,1-3H3
InChIKeyPVPYKIPZOUKBJM-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-yl)ethane-1-sulfonamide
CID 18069591
2-[(2S)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 170914813
2-[(2R)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 177801350
2-[(1-ethylpropyl)amino]-N,N-dimethylethanesulfonamide
CID 50980466
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
N,N-dimethyl-3-(3-methylpiperazin-1-yl)sulfonylpropane-1-sulfonamide
CID 121555234
N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide
CID 63765643
N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide
CID 83058118
4,4,4-trifluoro-N-[2-(propan-2-ylamino)ethyl]butane-1-sulfonamide
CID 83058796
N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83060158
N-(2-aminoethyl)-4,4,4-trifluoro-N-propan-2-ylbutane-1-sulfonamide
CID 83068089
N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 83068090

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide (CID 63765084) is N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide is CCCS(=O)(=O)N(CCN)C(CC)CC.
What is the InChIKey of N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide?
The InChIKey is PVPYKIPZOUKBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-9-15(13,14)12(8-7-11)10(5-2)6-3/h10H,4-9,11H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide?
N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide is sourced from PubChem (CID 63765084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).