[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium

C16H24N3OS+ — CID 4625533

IUPAC[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium
SMILESNC(=[NH2+])SCCC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C16H23N3OS/c17-15(18)21-11-8-14(20)19-12-16(9-4-5-10-16)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H3,17,18)(H,19,20)/p+1
InChIKeyMZTIMVMPBXDMQI-UHFFFAOYSA-O
MW306.46 g/mol
LogP0.81
Rot. Bonds6

About [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium

[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium (PubChem CID 4625533) has the molecular formula C16H24N3OS+ and a molecular weight of 306.46 g/mol. Its IUPAC name is [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium.

Molecular Properties

Compound Name[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium
PubChem CID4625533
Molecular FormulaC16H24N3OS+
Molecular Weight306.46 g/mol
Exact Mass306.16
IUPAC Name[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium
SMILESNC(=[NH2+])SCCC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C16H23N3OS/c17-15(18)21-11-8-14(20)19-12-16(9-4-5-10-16)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H3,17,18)(H,19,20)/p+1
InChIKeyMZTIMVMPBXDMQI-UHFFFAOYSA-O
XLogP0.81
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 24597399
3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 40896337
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 3532070
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447

Frequently Asked Questions

What is the IUPAC name of [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium?
The IUPAC name of [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium (CID 4625533) is [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium.
What is the SMILES notation for [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium?
The canonical SMILES for [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium is NC(=[NH2+])SCCC(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium?
The InChIKey is MZTIMVMPBXDMQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3OS/c17-15(18)21-11-8-14(20)19-12-16(9-4-5-10-16)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H3,17,18)(H,19,20)/p+1.
What are the key properties of [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium?
[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium has a molecular weight of 306.46 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium is sourced from PubChem (CID 4625533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).