(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide

C14H29N3O3S — CID 61154783

IUPAC(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O3S/c1-5-10-21(19,20)17-8-6-11(7-9-17)16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyVSWANEMZUFRDEB-GFCCVEGCSA-N
MW319.47 g/mol
LogP0.68
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide (PubChem CID 61154783) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
PubChem CID61154783
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O3S/c1-5-10-21(19,20)17-8-6-11(7-9-17)16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyVSWANEMZUFRDEB-GFCCVEGCSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
2-amino-3,3-dimethyl-1-(4-propylsulfonylpiperazin-1-yl)butan-1-one
CID 76895046
1-(2,2-dimethylpropyl)-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 110823075
ethyl N-[3-methyl-1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 55694270
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 81071434

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide (CID 61154783) is (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide is CCCS(=O)(=O)N1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is VSWANEMZUFRDEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-5-10-21(19,20)17-8-6-11(7-9-17)16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 319.47 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 61154783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).