N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide

C9H20N2O3S — CID 59640671

IUPACN-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)CCNS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(2)9(12)11-8(3)5-6-10-15(4,13)14/h7-8,10H,5-6H2,1-4H3,(H,11,12)/t8-/m1/s1
InChIKeyHBFPBKJOJDCSRX-MRVPVSSYSA-N
MW236.34 g/mol
LogP0.09
Rot. Bonds6

About N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide

N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide (PubChem CID 59640671) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide
PubChem CID59640671
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)CCNS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(2)9(12)11-8(3)5-6-10-15(4,13)14/h7-8,10H,5-6H2,1-4H3,(H,11,12)/t8-/m1/s1
InChIKeyHBFPBKJOJDCSRX-MRVPVSSYSA-N
XLogP0.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide (CID 59640671) is N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H](C)CCNS(C)(=O)=O.
What is the InChIKey of N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide?
The InChIKey is HBFPBKJOJDCSRX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)9(12)11-8(3)5-6-10-15(4,13)14/h7-8,10H,5-6H2,1-4H3,(H,11,12)/t8-/m1/s1.
What are the key properties of N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide?
N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide has a molecular weight of 236.34 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59640671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).