(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide

C10H23N3O3S — CID 63865932

IUPAC(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-7(2)8(11)9(14)12-6-10(3,4)13-17(5,15)16/h7-8,13H,6,11H2,1-5H3,(H,12,14)/t8-/m0/s1
InChIKeySKYDBCYMULQLMA-QMMMGPOBSA-N
MW265.38 g/mol
LogP-0.59
Rot. Bonds6

About (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide (PubChem CID 63865932) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
PubChem CID63865932
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-7(2)8(11)9(14)12-6-10(3,4)13-17(5,15)16/h7-8,13H,6,11H2,1-5H3,(H,12,14)/t8-/m0/s1
InChIKeySKYDBCYMULQLMA-QMMMGPOBSA-N
XLogP-0.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
CID 107030203
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
CID 63865578
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(propan-2-ylamino)acetamide
CID 63865581
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111780415
2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid
CID 63860059
3-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]propanoic acid
CID 63860060
N-[2-(methanesulfonamido)-2-methylpropyl]-2-methoxyacetamide
CID 63902886

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide (CID 63865932) is (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide is CC(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]-3-methylbutanamide?
The InChIKey is SKYDBCYMULQLMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-7(2)8(11)9(14)12-6-10(3,4)13-17(5,15)16/h7-8,13H,6,11H2,1-5H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide has a molecular weight of 265.38 g/mol, XLogP of -0.59, 6 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]-3-methylbutanamide is sourced from PubChem (CID 63865932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).