N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride

C10H19ClN2O2S2 — CID 120874886

IUPACN-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)CCc1cccs1.Cl
InChIInChI=1S/C10H18N2O2S2.ClH/c1-10(2,8-11)12-16(13,14)7-5-9-4-3-6-15-9;/h3-4,6,12H,5,7-8,11H2,1-2H3;1H
InChIKeyNPMFPTCKDOKBAL-UHFFFAOYSA-N
MW298.86 g/mol
LogP1.37
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride (PubChem CID 120874886) has the molecular formula C10H19ClN2O2S2 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
PubChem CID120874886
Molecular FormulaC10H19ClN2O2S2
Molecular Weight298.86 g/mol
Exact Mass298.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)CCc1cccs1.Cl
InChIInChI=1S/C10H18N2O2S2.ClH/c1-10(2,8-11)12-16(13,14)7-5-9-4-3-6-15-9;/h3-4,6,12H,5,7-8,11H2,1-2H3;1H
InChIKeyNPMFPTCKDOKBAL-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874392
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
CID 81187038
N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
CID 100627668
cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
CID 99859027
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
N-piperidin-4-yl-2-thiophen-2-ylethanesulfonamide
CID 120874425
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
3-amino-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119679292
N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876612
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride (CID 120874886) is N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride is CC(C)(CN)NS(=O)(=O)CCc1cccs1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The InChIKey is NPMFPTCKDOKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2.ClH/c1-10(2,8-11)12-16(13,14)7-5-9-4-3-6-15-9;/h3-4,6,12H,5,7-8,11H2,1-2H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 120874886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).