(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide

C15H28N2O3S — CID 96547556

IUPAC(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)[C@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)N1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-12(2)14(17-8-4-3-5-9-17)15(18)16-13-7-6-10-21(19,20)11-13/h12-14H,3-11H2,1-2H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyFUWSTCVZURLDFT-UONOGXRCSA-N
MW316.47 g/mol
LogP1.19
Rot. Bonds4

About (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide

(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide (PubChem CID 96547556) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide
PubChem CID96547556
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)[C@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)N1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-12(2)14(17-8-4-3-5-9-17)15(18)16-13-7-6-10-21(19,20)11-13/h12-14H,3-11H2,1-2H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyFUWSTCVZURLDFT-UONOGXRCSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide
CID 111101945
N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
CID 63924147
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
CID 63921831
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
CID 103796806
N-(1,1-dioxothian-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77013110
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide?
The IUPAC name of (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide (CID 96547556) is (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide?
The canonical SMILES for (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide is CC(C)[C@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)N1CCCCC1.
What is the InChIKey of (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide?
The InChIKey is FUWSTCVZURLDFT-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-12(2)14(17-8-4-3-5-9-17)15(18)16-13-7-6-10-21(19,20)11-13/h12-14H,3-11H2,1-2H3,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide?
(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide has a molecular weight of 316.47 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 96547556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).