(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine

C16H20N2O2S — CID 97240294

IUPAC(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESCC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-2-14(18-12-15-8-6-7-11-17-15)13-21(19,20)16-9-4-3-5-10-16/h3-11,14,18H,2,12-13H2,1H3/t14-/m1/s1
InChIKeyWHSDWGULNQFZPZ-CQSZACIVSA-N
MW304.42 g/mol
LogP2.42
Rot. Bonds7

About (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine

(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine (PubChem CID 97240294) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine
PubChem CID97240294
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESCC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-2-14(18-12-15-8-6-7-11-17-15)13-21(19,20)16-9-4-3-5-10-16/h3-11,14,18H,2,12-13H2,1H3/t14-/m1/s1
InChIKeyWHSDWGULNQFZPZ-CQSZACIVSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
3-[1-(benzenesulfonyl)butan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 122066462
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate
CID 11758798
1-oxo-1-(pyridin-2-ylmethylamino)butane-2-sulfonic acid
CID 142553634
3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 67707485
2-ethylpyridine;methanesulfonic acid
CID 86038816
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine (CID 97240294) is (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine is CC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccccn1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
The InChIKey is WHSDWGULNQFZPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-14(18-12-15-8-6-7-11-17-15)13-21(19,20)16-9-4-3-5-10-16/h3-11,14,18H,2,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 97240294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).