N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide

C13H24N2OS — CID 80584523

IUPACN-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCS1)NC1CCCCC1
InChIInChI=1S/C13H24N2OS/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyZPTXOPNCTMSVPZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.92
Rot. Bonds5

About N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide

N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide (PubChem CID 80584523) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide
PubChem CID80584523
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCS1)NC1CCCCC1
InChIInChI=1S/C13H24N2OS/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyZPTXOPNCTMSVPZ-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119674667
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
N-propyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80585576
2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
N-cyclopentyl-2-(thiolan-3-ylmethylamino)acetamide
CID 107166294
N-cyclohexyl-2-[(3-hydroxycyclobutyl)methylamino]acetamide
CID 66006801
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
N-cycloheptyl-2-[(4-ethylcyclohexyl)methylamino]acetamide
CID 63492902
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
ethyl 2-(thiolan-2-ylmethylamino)acetate
CID 80585602

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide?
The IUPAC name of N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide (CID 80584523) is N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCS1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide?
The InChIKey is ZPTXOPNCTMSVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide?
N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide has a molecular weight of 256.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 80584523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).