N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide

C15H30N2O3S — CID 95331028

IUPACN-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCCCS(=O)(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O3S/c1-5-6-10-21(19,20)17-9-7-8-13(12-17)11-16-14(18)15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyKKUWITCXACUUDM-CYBMUJFWSA-N
MW318.48 g/mol
LogP1.99
Rot. Bonds6

About N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide

N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 95331028) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID95331028
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCCCS(=O)(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O3S/c1-5-6-10-21(19,20)17-9-7-8-13(12-17)11-16-14(18)15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyKKUWITCXACUUDM-CYBMUJFWSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
CID 50847725
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63879116
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95624997
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
CID 119461322
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide (CID 95331028) is N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide is CCCCS(=O)(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is KKUWITCXACUUDM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-5-6-10-21(19,20)17-9-7-8-13(12-17)11-16-14(18)15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 318.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95331028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).