3-amino-3-(2-methylpropylsulfonyl)propanamide

C7H16N2O3S — CID 151257043

IUPAC3-amino-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)C(N)CC(N)=O
InChIInChI=1S/C7H16N2O3S/c1-5(2)4-13(11,12)7(9)3-6(8)10/h5,7H,3-4,9H2,1-2H3,(H2,8,10)
InChIKeyNTNVRYNWBWEGMB-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.78
Rot. Bonds5

About 3-amino-3-(2-methylpropylsulfonyl)propanamide

3-amino-3-(2-methylpropylsulfonyl)propanamide (PubChem CID 151257043) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-amino-3-(2-methylpropylsulfonyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2-methylpropylsulfonyl)propanamide
PubChem CID151257043
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-amino-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)C(N)CC(N)=O
InChIInChI=1S/C7H16N2O3S/c1-5(2)4-13(11,12)7(9)3-6(8)10/h5,7H,3-4,9H2,1-2H3,(H2,8,10)
InChIKeyNTNVRYNWBWEGMB-UHFFFAOYSA-N
XLogP-0.78
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methylpropylsulfonyl)propanamide?
The IUPAC name of 3-amino-3-(2-methylpropylsulfonyl)propanamide (CID 151257043) is 3-amino-3-(2-methylpropylsulfonyl)propanamide.
What is the SMILES notation for 3-amino-3-(2-methylpropylsulfonyl)propanamide?
The canonical SMILES for 3-amino-3-(2-methylpropylsulfonyl)propanamide is CC(C)CS(=O)(=O)C(N)CC(N)=O.
What is the InChIKey of 3-amino-3-(2-methylpropylsulfonyl)propanamide?
The InChIKey is NTNVRYNWBWEGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-5(2)4-13(11,12)7(9)3-6(8)10/h5,7H,3-4,9H2,1-2H3,(H2,8,10).
What are the key properties of 3-amino-3-(2-methylpropylsulfonyl)propanamide?
3-amino-3-(2-methylpropylsulfonyl)propanamide has a molecular weight of 208.28 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methylpropylsulfonyl)propanamide is sourced from PubChem (CID 151257043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).