N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide

C10H24N2O2S — CID 100655614

IUPACN-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
SMILESC[C@@H](N)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-9(11)5-7-12-15(13,14)8-6-10(2,3)4/h9,12H,5-8,11H2,1-4H3/t9-/m1/s1
InChIKeyWPXPEPWXJKDHSH-SECBINFHSA-N
MW236.38 g/mol
LogP1.08
Rot. Bonds6

About N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide

N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 100655614) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID100655614
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
SMILESC[C@@H](N)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-9(11)5-7-12-15(13,14)8-6-10(2,3)4/h9,12H,5-8,11H2,1-4H3/t9-/m1/s1
InChIKeyWPXPEPWXJKDHSH-SECBINFHSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106286721
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119972475

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide (CID 100655614) is N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide is C[C@@H](N)CCNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is WPXPEPWXJKDHSH-SECBINFHSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-9(11)5-7-12-15(13,14)8-6-10(2,3)4/h9,12H,5-8,11H2,1-4H3/t9-/m1/s1.
What are the key properties of N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 100655614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).