N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide

C15H28N2OS — CID 42567206

IUPACN-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-19-12-15(18)16-13-7-6-10-17(11-13)14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyIVDMQOPPHOTIDM-CYBMUJFWSA-N
MW284.47 g/mol
LogP2.65
Rot. Bonds4

About N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide

N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide (PubChem CID 42567206) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
PubChem CID42567206
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-19-12-15(18)16-13-7-6-10-17(11-13)14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyIVDMQOPPHOTIDM-CYBMUJFWSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
N-[(3S)-1-cyclohexylpiperidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 125164899
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
N-(1-cycloheptylpiperidin-3-yl)-3-(1,2-oxazolidin-2-yl)propanamide
CID 45247907
1-cyclooctyl-N-methylpiperidin-3-amine
CID 62536163
N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 45214844
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide (CID 42567206) is N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is IVDMQOPPHOTIDM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-19-12-15(18)16-13-7-6-10-17(11-13)14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 284.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 42567206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).