2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide

C10H22N2O3S — CID 81187001

IUPAC2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CS(=O)(=O)CCCN
InChIInChI=1S/C10H22N2O3S/c1-8(2)9(3)12-10(13)7-16(14,15)6-4-5-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyRIAFJVRSCZOQLR-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.09
Rot. Bonds7

About 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide

2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 81187001) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID81187001
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CS(=O)(=O)CCCN
InChIInChI=1S/C10H22N2O3S/c1-8(2)9(3)12-10(13)7-16(14,15)6-4-5-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyRIAFJVRSCZOQLR-UHFFFAOYSA-N
XLogP-0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81174763
2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide
CID 82180307
2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962103
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 61489563
2-(3-aminopropylsulfonyl)-N-cyclopentylacetamide
CID 79015463
2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82180091
4-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 82182568
N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 94002660
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
4-amino-N-(3-methylpentan-2-yl)butanamide
CID 61464020
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide (CID 81187001) is 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CS(=O)(=O)CCCN.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is RIAFJVRSCZOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8(2)9(3)12-10(13)7-16(14,15)6-4-5-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 250.36 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81187001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).