N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide

C18H30N2O4S — CID 100825397

IUPACN-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30N2O4S/c21-17(13-7-3-1-4-8-13)19-15-11-25(23,24)12-16(15)20-18(22)14-9-5-2-6-10-14/h13-16H,1-12H2,(H,19,21)(H,20,22)/t15-,16-/m1/s1
InChIKeyISKCDNUOJQWVCZ-HZPDHXFCSA-N
MW370.52 g/mol
LogP1.54
Rot. Bonds4

About N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide

N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide (PubChem CID 100825397) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide
PubChem CID100825397
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30N2O4S/c21-17(13-7-3-1-4-8-13)19-15-11-25(23,24)12-16(15)20-18(22)14-9-5-2-6-10-14/h13-16H,1-12H2,(H,19,21)(H,20,22)/t15-,16-/m1/s1
InChIKeyISKCDNUOJQWVCZ-HZPDHXFCSA-N
XLogP1.54
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,1-dioxothiolan-3-yl)cyclooctanecarboxamide
CID 113290261
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
CID 97216677
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
N-(2-bromocyclohexyl)cycloheptanecarboxamide
CID 114311963
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
CID 63257894
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide (CID 100825397) is N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide is O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide?
The InChIKey is ISKCDNUOJQWVCZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H30N2O4S/c21-17(13-7-3-1-4-8-13)19-15-11-25(23,24)12-16(15)20-18(22)14-9-5-2-6-10-14/h13-16H,1-12H2,(H,19,21)(H,20,22)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide?
N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide has a molecular weight of 370.52 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 100825397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).