N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide

C16H28N2O3S — CID 131945479

IUPACN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-16(2)11-14(16)15(19)17-12-3-7-18(8-4-12)13-5-9-22(20,21)10-6-13/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyRCLGHGMTFRAKJZ-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.19
Rot. Bonds3

About N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 131945479) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID131945479
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-16(2)11-14(16)15(19)17-12-3-7-18(8-4-12)13-5-9-22(20,21)10-6-13/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyRCLGHGMTFRAKJZ-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide
CID 164640349
N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide
CID 118669221
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide
CID 130227401
N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide
CID 130266051
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine
CID 145317071
5-[(1,1-Dioxothian-4-yl)amino]-4-methyl-1-[4-(2-methylpropylamino)piperidin-1-yl]pentan-1-one
CID 155183403
2-(1,1-dioxothian-4-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 178772847
2-(1,1-dioxothian-4-yl)-N-piperidin-4-ylacetamide
CID 178772848
N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
CID 43615172
N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide
CID 43615347
1-[4-[(1,1-Dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747752

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide (CID 131945479) is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is RCLGHGMTFRAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-16(2)11-14(16)15(19)17-12-3-7-18(8-4-12)13-5-9-22(20,21)10-6-13/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 131945479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).