N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride

C11H22ClNS — CID 115680419

IUPACN-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
SMILESCC1(CNC2CCSCC2)CCC1.Cl
InChIInChI=1S/C11H21NS.ClH/c1-11(5-2-6-11)9-12-10-3-7-13-8-4-10;/h10,12H,2-9H2,1H3;1H
InChIKeyPGMPXYMUNTVJCG-UHFFFAOYSA-N
MW235.82 g/mol
LogP3.08
Rot. Bonds3

About N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride

N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride (PubChem CID 115680419) has the molecular formula C11H22ClNS and a molecular weight of 235.82 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
PubChem CID115680419
Molecular FormulaC11H22ClNS
Molecular Weight235.82 g/mol
Exact Mass235.12
IUPAC NameN-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
SMILESCC1(CNC2CCSCC2)CCC1.Cl
InChIInChI=1S/C11H21NS.ClH/c1-11(5-2-6-11)9-12-10-3-7-13-8-4-10;/h10,12H,2-9H2,1H3;1H
InChIKeyPGMPXYMUNTVJCG-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130601573
4-[(cyclopropylamino)methyl]-4-methylcyclohexan-1-ol
CID 130531645
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
CID 130635070
N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
CID 130640078
4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
2,2,3,3-tetramethyl-N-[(1-methylcyclobutyl)methyl]cyclopropan-1-amine
CID 130601051
1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
CID 103903178
N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine
CID 115673924
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride (CID 115680419) is N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride is CC1(CNC2CCSCC2)CCC1.Cl.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride?
The InChIKey is PGMPXYMUNTVJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS.ClH/c1-11(5-2-6-11)9-12-10-3-7-13-8-4-10;/h10,12H,2-9H2,1H3;1H.
What are the key properties of N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride?
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride has a molecular weight of 235.82 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride is sourced from PubChem (CID 115680419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).