N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide

C8H17N3O4S — CID 64631810

IUPACN-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide
SMILESCC(CS(C)(=O)=O)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C8H17N3O4S/c1-5(4-16(3,14)15)10-6(2)7(12)11-8(9)13/h5-6,10H,4H2,1-3H3,(H3,9,11,12,13)
InChIKeyRPWUBALNUZFDBH-UHFFFAOYSA-N
MW251.31 g/mol
LogP-1.41
Rot. Bonds5

About N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide

N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide (PubChem CID 64631810) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide
PubChem CID64631810
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC NameN-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide
SMILESCC(CS(C)(=O)=O)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C8H17N3O4S/c1-5(4-16(3,14)15)10-6(2)7(12)11-8(9)13/h5-6,10H,4H2,1-3H3,(H3,9,11,12,13)
InChIKeyRPWUBALNUZFDBH-UHFFFAOYSA-N
XLogP-1.41
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide (CID 64631810) is N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide is CC(CS(C)(=O)=O)NC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide?
The InChIKey is RPWUBALNUZFDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-5(4-16(3,14)15)10-6(2)7(12)11-8(9)13/h5-6,10H,4H2,1-3H3,(H3,9,11,12,13).
What are the key properties of N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide?
N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide has a molecular weight of 251.31 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide is sourced from PubChem (CID 64631810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).