(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide

C16H27N3O3S — CID 110351535

IUPAC(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc1cccnc1
InChIInChI=1S/C16H27N3O3S/c1-4-5-9-23(21,22)19-15(10-13(2)3)16(20)18-12-14-7-6-8-17-11-14/h6-8,11,13,15,19H,4-5,9-10,12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyLRMZOVJBIAEORO-HNNXBMFYSA-N
MW341.48 g/mol
LogP1.83
Rot. Bonds10

About (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide

(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 110351535) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID110351535
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc1cccnc1
InChIInChI=1S/C16H27N3O3S/c1-4-5-9-23(21,22)19-15(10-13(2)3)16(20)18-12-14-7-6-8-17-11-14/h6-8,11,13,15,19H,4-5,9-10,12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyLRMZOVJBIAEORO-HNNXBMFYSA-N
XLogP1.83
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
CID 110351555
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351478
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
N-[1-[[(4S,5R,6R,7R)-8-(benzylamino)-5,6-dihydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-3-butylsulfonyl-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 58635629
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide (CID 110351535) is (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide is CCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is LRMZOVJBIAEORO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-5-9-23(21,22)19-15(10-13(2)3)16(20)18-12-14-7-6-8-17-11-14/h6-8,11,13,15,19H,4-5,9-10,12H2,1-3H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 341.48 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 110351535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).