N-[(1-propylcyclopropyl)methyl]thietan-3-amine

C10H19NS — CID 155893734

IUPACN-[(1-propylcyclopropyl)methyl]thietan-3-amine
SMILESCCCC1(CNC2CSC2)CC1
InChIInChI=1S/C10H19NS/c1-2-3-10(4-5-10)8-11-9-6-12-7-9/h9,11H,2-8H2,1H3
InChIKeyZQOQXSBGCUPLOO-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds5

About N-[(1-propylcyclopropyl)methyl]thietan-3-amine

N-[(1-propylcyclopropyl)methyl]thietan-3-amine (PubChem CID 155893734) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[(1-propylcyclopropyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(1-propylcyclopropyl)methyl]thietan-3-amine
PubChem CID155893734
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-[(1-propylcyclopropyl)methyl]thietan-3-amine
SMILESCCCC1(CNC2CSC2)CC1
InChIInChI=1S/C10H19NS/c1-2-3-10(4-5-10)8-11-9-6-12-7-9/h9,11H,2-8H2,1H3
InChIKeyZQOQXSBGCUPLOO-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304
N-[(1-propylcyclopropyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103903710
3-cyclopropyl-N-[(1-propylcyclopropyl)methyl]cyclohexan-1-amine
CID 114099645
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
CID 130640078
N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143322
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
N-[(1-propylcyclobutyl)methyl]oxan-3-amine
CID 115893826
[1-[[(5,5-dimethylthian-3-yl)amino]methyl]cyclopropyl]methanol
CID 115454320
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241
N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine
CID 63143025

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclopropyl)methyl]thietan-3-amine?
The IUPAC name of N-[(1-propylcyclopropyl)methyl]thietan-3-amine (CID 155893734) is N-[(1-propylcyclopropyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(1-propylcyclopropyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(1-propylcyclopropyl)methyl]thietan-3-amine is CCCC1(CNC2CSC2)CC1.
What is the InChIKey of N-[(1-propylcyclopropyl)methyl]thietan-3-amine?
The InChIKey is ZQOQXSBGCUPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-3-10(4-5-10)8-11-9-6-12-7-9/h9,11H,2-8H2,1H3.
What are the key properties of N-[(1-propylcyclopropyl)methyl]thietan-3-amine?
N-[(1-propylcyclopropyl)methyl]thietan-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclopropyl)methyl]thietan-3-amine is sourced from PubChem (CID 155893734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).