cyclopropyl(1,4-thiazepan-4-yl)methanone

C9H15NOS — CID 60773784

IUPACcyclopropyl(1,4-thiazepan-4-yl)methanone
SMILESO=C(C1CC1)N1CCCSCC1
InChIInChI=1S/C9H15NOS/c11-9(8-2-3-8)10-4-1-6-12-7-5-10/h8H,1-7H2
InChIKeyWTHNIOLGNPSGSG-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.36
Rot. Bonds1

About cyclopropyl(1,4-thiazepan-4-yl)methanone

cyclopropyl(1,4-thiazepan-4-yl)methanone (PubChem CID 60773784) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is cyclopropyl(1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1,4-thiazepan-4-yl)methanone
PubChem CID60773784
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Namecyclopropyl(1,4-thiazepan-4-yl)methanone
SMILESO=C(C1CC1)N1CCCSCC1
InChIInChI=1S/C9H15NOS/c11-9(8-2-3-8)10-4-1-6-12-7-5-10/h8H,1-7H2
InChIKeyWTHNIOLGNPSGSG-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
pyrrolidin-1-yl-[(1S,2S)-2-(1,4-thiazepane-4-carbonyl)cyclohexyl]methanone
CID 96526393
azepan-1-yl(thian-4-yl)methanone
CID 110856329
azetidin-2-yl(1,4-thiazepan-4-yl)methanone
CID 130767550
cis-(1S,2R)-2-(1,4-thiazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 114092098
cyclopentyl(1,3-thiazolidin-3-yl)methanone
CID 122331918
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
4-(thiomorpholine-4-carbonyl)piperidine-1-sulfonamide
CID 47351910
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
azepan-1-yl(thiomorpholin-4-yl)methanone
CID 116654024

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,4-thiazepan-4-yl)methanone?
The IUPAC name of cyclopropyl(1,4-thiazepan-4-yl)methanone (CID 60773784) is cyclopropyl(1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for cyclopropyl(1,4-thiazepan-4-yl)methanone?
The canonical SMILES for cyclopropyl(1,4-thiazepan-4-yl)methanone is O=C(C1CC1)N1CCCSCC1.
What is the InChIKey of cyclopropyl(1,4-thiazepan-4-yl)methanone?
The InChIKey is WTHNIOLGNPSGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c11-9(8-2-3-8)10-4-1-6-12-7-5-10/h8H,1-7H2.
What are the key properties of cyclopropyl(1,4-thiazepan-4-yl)methanone?
cyclopropyl(1,4-thiazepan-4-yl)methanone has a molecular weight of 185.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 60773784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).