(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide

C8H19N3O3S — CID 78952829

IUPAC(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
SMILESC[C@H](N)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-6(9)7(12)10-5-8(2,3)11-15(4,13)14/h6,11H,5,9H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyOHACTJOVOLLEIL-LURJTMIESA-N
MW237.32 g/mol
LogP-1.22
Rot. Bonds5

About (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide

(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide (PubChem CID 78952829) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
PubChem CID78952829
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
SMILESC[C@H](N)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-6(9)7(12)10-5-8(2,3)11-15(4,13)14/h6,11H,5,9H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyOHACTJOVOLLEIL-LURJTMIESA-N
XLogP-1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
CID 63865932
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
CID 107030203
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
CID 63865578
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(propan-2-ylamino)acetamide
CID 63865581
3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
CID 79397099
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
CID 63859891
2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid
CID 63860059
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
3-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]propanoic acid
CID 63860060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide (CID 78952829) is (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide is C[C@H](N)C(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide?
The InChIKey is OHACTJOVOLLEIL-LURJTMIESA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-6(9)7(12)10-5-8(2,3)11-15(4,13)14/h6,11H,5,9H2,1-4H3,(H,10,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide?
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide has a molecular weight of 237.32 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide is sourced from PubChem (CID 78952829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).