2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide

C10H21N3O4S — CID 103827599

IUPAC2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
SMILESCNC(=O)CCN(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H21N3O4S/c1-12-9(14)4-6-13(2)10(15)8(11)5-7-18(3,16)17/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyVNOWSWCOXZXALO-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.66
Rot. Bonds7

About 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide

2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide (PubChem CID 103827599) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
PubChem CID103827599
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
SMILESCNC(=O)CCN(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H21N3O4S/c1-12-9(14)4-6-13(2)10(15)8(11)5-7-18(3,16)17/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyVNOWSWCOXZXALO-UHFFFAOYSA-N
XLogP-1.66
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide
CID 106915272
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
methyl 3-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]-2-methylpropanoate
CID 54873448
2-amino-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 103810328
2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119955717

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide (CID 103827599) is 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide is CNC(=O)CCN(C)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide?
The InChIKey is VNOWSWCOXZXALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-12-9(14)4-6-13(2)10(15)8(11)5-7-18(3,16)17/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide?
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide has a molecular weight of 279.36 g/mol, XLogP of -1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 103827599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).