N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide

C8H20N2O2S — CID 61134416

IUPACN-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-5-8(4,6-9)10-13(11,12)7(2)3/h7,10H,5-6,9H2,1-4H3
InChIKeyQPEJFCPOBKJTJI-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.44
Rot. Bonds5

About N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide

N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide (PubChem CID 61134416) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide
PubChem CID61134416
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-5-8(4,6-9)10-13(11,12)7(2)3/h7,10H,5-6,9H2,1-4H3
InChIKeyQPEJFCPOBKJTJI-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-N-butylethanesulfonamide
CID 21458645
N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-(3-aminopropyl)-2-methylbutane-1-sulfonamide
CID 91659838
N-butylbutane-1-sulfonamide
CID 305460
N-(2-amino-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058658
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059282
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067790
N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067940
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068828
N-(4-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116346215
N-(3-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116360894

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide (CID 61134416) is N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide is CCC(C)(CN)NS(=O)(=O)C(C)C.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide?
The InChIKey is QPEJFCPOBKJTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-5-8(4,6-9)10-13(11,12)7(2)3/h7,10H,5-6,9H2,1-4H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 61134416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).