N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide

C16H29N3O3S — CID 86786884

IUPACN-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H29N3O3S/c20-16(18-13-4-2-1-3-5-13)19-9-6-14(7-10-19)17-15-8-11-23(21,22)12-15/h13-15,17H,1-12H2,(H,18,20)
InChIKeyCYWINKPMFMAROC-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.27
Rot. Bonds3

About N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide

N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide (PubChem CID 86786884) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
PubChem CID86786884
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H29N3O3S/c20-16(18-13-4-2-1-3-5-13)19-9-6-14(7-10-19)17-15-8-11-23(21,22)12-15/h13-15,17H,1-12H2,(H,18,20)
InChIKeyCYWINKPMFMAROC-UHFFFAOYSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109610
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83202160
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 95271977

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide (CID 86786884) is N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(NC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide?
The InChIKey is CYWINKPMFMAROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c20-16(18-13-4-2-1-3-5-13)19-9-6-14(7-10-19)17-15-8-11-23(21,22)12-15/h13-15,17H,1-12H2,(H,18,20).
What are the key properties of N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide?
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 86786884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).