(2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide

C15H31N3O3S — CID 95176161

IUPAC(2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide
SMILESCCS(=O)(=O)N(C)C1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O3S/c1-7-22(20,21)17(6)13-8-10-18(11-9-13)12(2)14(19)16-15(3,4)5/h12-13H,7-11H2,1-6H3,(H,16,19)/t12-/m0/s1
InChIKeyUARMRMJQEMDINF-LBPRGKRZSA-N
MW333.50 g/mol
LogP1.04
Rot. Bonds5

About (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide

(2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide (PubChem CID 95176161) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide
PubChem CID95176161
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name(2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide
SMILESCCS(=O)(=O)N(C)C1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O3S/c1-7-22(20,21)17(6)13-8-10-18(11-9-13)12(2)14(19)16-15(3,4)5/h12-13H,7-11H2,1-6H3,(H,16,19)/t12-/m0/s1
InChIKeyUARMRMJQEMDINF-LBPRGKRZSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide (CID 95176161) is (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide is CCS(=O)(=O)N(C)C1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide?
The InChIKey is UARMRMJQEMDINF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-7-22(20,21)17(6)13-8-10-18(11-9-13)12(2)14(19)16-15(3,4)5/h12-13H,7-11H2,1-6H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide?
(2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide has a molecular weight of 333.50 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide is sourced from PubChem (CID 95176161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).