N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine

C11H21NS — CID 84669062

IUPACN-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
SMILESCNC1(CCC2CCSCC2)CC1
InChIInChI=1S/C11H21NS/c1-12-11(6-7-11)5-2-10-3-8-13-9-4-10/h10,12H,2-9H2,1H3
InChIKeyDIKDKYSMVKVZDY-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds4

About N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine

N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 84669062) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
PubChem CID84669062
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
SMILESCNC1(CCC2CCSCC2)CC1
InChIInChI=1S/C11H21NS/c1-12-11(6-7-11)5-2-10-3-8-13-9-4-10/h10,12H,2-9H2,1H3
InChIKeyDIKDKYSMVKVZDY-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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Related Compounds

1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine
CID 69128321
N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine
CID 123975804
1-(tert-butylsulfanylmethyl)-N-methylcyclohexan-1-amine
CID 126634104
(3S)-N-methyl-5-pentylthian-3-amine
CID 141885095
N-(5-methylundecan-5-yl)thian-4-amine
CID 146436758
N-(7-methyloctyl)thian-4-amine
CID 43394852
3-Octan-2-ylthiomorpholine
CID 56959898
2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine
CID 62712265
N-(7-methyloctyl)thian-3-amine
CID 62872697
N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine
CID 62873505
2-methyl-N-(5-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine
CID 62873510
N-(1-cyclopropylbutan-2-yl)thian-3-amine
CID 64001591

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine (CID 84669062) is N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine is CNC1(CCC2CCSCC2)CC1.
What is the InChIKey of N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is DIKDKYSMVKVZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-12-11(6-7-11)5-2-10-3-8-13-9-4-10/h10,12H,2-9H2,1H3.
What are the key properties of N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
N-methyl-1-[2-(thian-4-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-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 84669062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).