(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide

C7H16N2O3S — CID 58709520

IUPAC(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)NS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-5(2)8-7(10)6(3)9-13(4,11)12/h5-6,9H,1-4H3,(H,8,10)/t6-/m0/s1
InChIKeyXXHVGQDPXXZOQO-LURJTMIESA-N
MW208.28 g/mol
LogP-0.55
Rot. Bonds4

About (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide

(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide (PubChem CID 58709520) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide
PubChem CID58709520
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)NS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-5(2)8-7(10)6(3)9-13(4,11)12/h5-6,9H,1-4H3,(H,8,10)/t6-/m0/s1
InChIKeyXXHVGQDPXXZOQO-LURJTMIESA-N
XLogP-0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide (CID 58709520) is (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)NS(C)(=O)=O.
What is the InChIKey of (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
The InChIKey is XXHVGQDPXXZOQO-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-5(2)8-7(10)6(3)9-13(4,11)12/h5-6,9H,1-4H3,(H,8,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide has a molecular weight of 208.28 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide is sourced from PubChem (CID 58709520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).