N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine

C11H21NS — CID 84669063

IUPACN-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine
SMILESCNC1(CCC2CCCSC2)CC1
InChIInChI=1S/C11H21NS/c1-12-11(6-7-11)5-4-10-3-2-8-13-9-10/h10,12H,2-9H2,1H3
InChIKeyIXPVBMQWSDATDD-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds4

About N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine

N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine (PubChem CID 84669063) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine
PubChem CID84669063
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine
SMILESCNC1(CCC2CCCSC2)CC1
InChIInChI=1S/C11H21NS/c1-12-11(6-7-11)5-4-10-3-2-8-13-9-10/h10,12H,2-9H2,1H3
InChIKeyIXPVBMQWSDATDD-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine (CID 84669063) is N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine is CNC1(CCC2CCCSC2)CC1.
What is the InChIKey of N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine?
The InChIKey is IXPVBMQWSDATDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-12-11(6-7-11)5-4-10-3-2-8-13-9-10/h10,12H,2-9H2,1H3.
What are the key properties of N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine?
N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thian-3-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 84669063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).