N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride

C9H19ClN2OS — CID 119408489

IUPACN-(3-aminopropyl)thiane-4-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CCSCC1
InChIInChI=1S/C9H18N2OS.ClH/c10-4-1-5-11-9(12)8-2-6-13-7-3-8;/h8H,1-7,10H2,(H,11,12);1H
InChIKeyYZYAFCYKTVKOPS-UHFFFAOYSA-N
MW238.78 g/mol
LogP1.02
Rot. Bonds4

About N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride

N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride (PubChem CID 119408489) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)thiane-4-carboxamide;hydrochloride
PubChem CID119408489
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC NameN-(3-aminopropyl)thiane-4-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CCSCC1
InChIInChI=1S/C9H18N2OS.ClH/c10-4-1-5-11-9(12)8-2-6-13-7-3-8;/h8H,1-7,10H2,(H,11,12);1H
InChIKeyYZYAFCYKTVKOPS-UHFFFAOYSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
CID 81469853
N-[2-(7-aminoheptanoylamino)ethyl]cyclopropanecarboxamide
CID 115738007
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119406281
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide
CID 72568812
N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride
CID 119406822
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
4-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313242

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride (CID 119408489) is N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride is Cl.NCCCNC(=O)C1CCSCC1.
What is the InChIKey of N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride?
The InChIKey is YZYAFCYKTVKOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c10-4-1-5-11-9(12)8-2-6-13-7-3-8;/h8H,1-7,10H2,(H,11,12);1H.
What are the key properties of N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride?
N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride is sourced from PubChem (CID 119408489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).