N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide

C10H22N2O3S — CID 115737405

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(C)CC(CN)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7(2)5-9(6-11)12-10(13)8(3)16(4,14)15/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyNBOLXBCLUCRUBB-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.09
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide

N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide (PubChem CID 115737405) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
PubChem CID115737405
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(C)CC(CN)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7(2)5-9(6-11)12-10(13)8(3)16(4,14)15/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyNBOLXBCLUCRUBB-UHFFFAOYSA-N
XLogP-0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
CID 104520686
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide
CID 104522544
(3S)-5-methyl-3-[(2-methylsulfonylpropanoylamino)methyl]hexanoic acid
CID 104517686
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methylsulfonylpropanamide
CID 104519401
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
(2S)-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517781
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide (CID 115737405) is N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide is CC(C)CC(CN)NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide?
The InChIKey is NBOLXBCLUCRUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-7(2)5-9(6-11)12-10(13)8(3)16(4,14)15/h7-9H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide?
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide has a molecular weight of 250.36 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 115737405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).