N-methyl-2-phenylsulfanylcyclododecan-1-amine

C19H31NS — CID 64619988

IUPACN-methyl-2-phenylsulfanylcyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1Sc1ccccc1
InChIInChI=1S/C19H31NS/c1-20-18-15-11-6-4-2-3-5-7-12-16-19(18)21-17-13-9-8-10-14-17/h8-10,13-14,18-20H,2-7,11-12,15-16H2,1H3
InChIKeyIXLFOGIFVDSLOW-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.65
Rot. Bonds3

About N-methyl-2-phenylsulfanylcyclododecan-1-amine

N-methyl-2-phenylsulfanylcyclododecan-1-amine (PubChem CID 64619988) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is N-methyl-2-phenylsulfanylcyclododecan-1-amine.

Molecular Properties

Compound NameN-methyl-2-phenylsulfanylcyclododecan-1-amine
PubChem CID64619988
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC NameN-methyl-2-phenylsulfanylcyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1Sc1ccccc1
InChIInChI=1S/C19H31NS/c1-20-18-15-11-6-4-2-3-5-7-12-16-19(18)21-17-13-9-8-10-14-17/h8-10,13-14,18-20H,2-7,11-12,15-16H2,1H3
InChIKeyIXLFOGIFVDSLOW-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylsulfanylcyclododecan-1-amine?
The IUPAC name of N-methyl-2-phenylsulfanylcyclododecan-1-amine (CID 64619988) is N-methyl-2-phenylsulfanylcyclododecan-1-amine.
What is the SMILES notation for N-methyl-2-phenylsulfanylcyclododecan-1-amine?
The canonical SMILES for N-methyl-2-phenylsulfanylcyclododecan-1-amine is CNC1CCCCCCCCCCC1Sc1ccccc1.
What is the InChIKey of N-methyl-2-phenylsulfanylcyclododecan-1-amine?
The InChIKey is IXLFOGIFVDSLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-20-18-15-11-6-4-2-3-5-7-12-16-19(18)21-17-13-9-8-10-14-17/h8-10,13-14,18-20H,2-7,11-12,15-16H2,1H3.
What are the key properties of N-methyl-2-phenylsulfanylcyclododecan-1-amine?
N-methyl-2-phenylsulfanylcyclododecan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylsulfanylcyclododecan-1-amine is sourced from PubChem (CID 64619988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).