N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide

C6H16N2O2S — CID 129411516

IUPACN-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
SMILESC[C@H](N)CCN(C)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(7)4-5-8(2)11(3,9)10/h6H,4-5,7H2,1-3H3/t6-/m0/s1
InChIKeyPRWWBMUKHBKPQU-LURJTMIESA-N
MW180.27 g/mol
LogP-0.38
Rot. Bonds4

About N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide

N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide (PubChem CID 129411516) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
PubChem CID129411516
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
SMILESC[C@H](N)CCN(C)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(7)4-5-8(2)11(3,9)10/h6H,4-5,7H2,1-3H3/t6-/m0/s1
InChIKeyPRWWBMUKHBKPQU-LURJTMIESA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
1-N,1-N-di(propan-2-yl)butane-1,3-diamine
CID 57236538
N-(2-iodoethyl)-N-methylmethanesulfonamide
CID 21344429
N-(3-aminobutyl)-N-methylformamide
CID 90741055
N-(aminomethyl)-N-methylmethanesulfonamide
CID 154939817
N-(3-aminobutyl)-N-methylacetamide
CID 88939316
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
CID 119972420
1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 43265715
N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 115317705
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
(5R)-hexane-2,5-diamine
CID 144618459

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide (CID 129411516) is N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide is C[C@H](N)CCN(C)S(C)(=O)=O.
What is the InChIKey of N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide?
The InChIKey is PRWWBMUKHBKPQU-LURJTMIESA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(7)4-5-8(2)11(3,9)10/h6H,4-5,7H2,1-3H3/t6-/m0/s1.
What are the key properties of N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide?
N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 129411516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).