N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide

C13H26N2OS — CID 114235056

IUPACN,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide
SMILESCCCNC1CCCCC1SCC(=O)N(C)C
InChIInChI=1S/C13H26N2OS/c1-4-9-14-11-7-5-6-8-12(11)17-10-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyAWCTVOVZYMCMET-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.12
Rot. Bonds6

About N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide

N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide (PubChem CID 114235056) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide
PubChem CID114235056
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide
SMILESCCCNC1CCCCC1SCC(=O)N(C)C
InChIInChI=1S/C13H26N2OS/c1-4-9-14-11-7-5-6-8-12(11)17-10-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyAWCTVOVZYMCMET-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(propylamino)cycloheptyl]sulfanylpropanoate
CID 64615405
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-(2-methylbutylsulfanyl)-N-propylcycloheptan-1-amine
CID 107763648
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
CID 99829767
3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide
CID 124844755
2-[2-(ethylamino)cyclopentyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236292
2-[(4-chlorophenyl)methylsulfanyl]-N-propylcyclooctan-1-amine
CID 114792663
ethyl 2-[5-tert-butyl-2-(propylamino)cyclohexyl]sulfanylacetate
CID 64615662
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide (CID 114235056) is N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide is CCCNC1CCCCC1SCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide?
The InChIKey is AWCTVOVZYMCMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-9-14-11-7-5-6-8-12(11)17-10-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide?
N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide has a molecular weight of 258.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide is sourced from PubChem (CID 114235056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).