N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide

C15H27N3OS — CID 134160864

IUPACN-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCN(C2CCSC2)CC1
InChIInChI=1S/C15H27N3OS/c19-15(16-13-4-1-2-5-13)18-8-3-7-17(9-10-18)14-6-11-20-12-14/h13-14H,1-12H2,(H,16,19)
InChIKeyPZOPBQAQBSCNHD-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.15
Rot. Bonds2

About N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide (PubChem CID 134160864) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide
PubChem CID134160864
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCN(C2CCSC2)CC1
InChIInChI=1S/C15H27N3OS/c19-15(16-13-4-1-2-5-13)18-8-3-7-17(9-10-18)14-6-11-20-12-14/h13-14H,1-12H2,(H,16,19)
InChIKeyPZOPBQAQBSCNHD-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentylthiomorpholine-4-carboxamide
CID 115582925
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
3,3-dimethyl-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]butan-1-one
CID 134160509
oxan-4-yl-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 134160460
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109610
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone
CID 126853096
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
N-cyclopentyl-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812155

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide (CID 134160864) is N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide is O=C(NC1CCCC1)N1CCCN(C2CCSC2)CC1.
What is the InChIKey of N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is PZOPBQAQBSCNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c19-15(16-13-4-1-2-5-13)18-8-3-7-17(9-10-18)14-6-11-20-12-14/h13-14H,1-12H2,(H,16,19).
What are the key properties of N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 297.47 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 134160864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).