N-cyclohexyl-2-(thian-4-ylamino)acetamide

C13H24N2OS — CID 115621808

IUPACN-cyclohexyl-2-(thian-4-ylamino)acetamide
SMILESO=C(CNC1CCSCC1)NC1CCCCC1
InChIInChI=1S/C13H24N2OS/c16-13(15-12-4-2-1-3-5-12)10-14-11-6-8-17-9-7-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyGNLSSVITTQVHFD-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.92
Rot. Bonds4

About N-cyclohexyl-2-(thian-4-ylamino)acetamide

N-cyclohexyl-2-(thian-4-ylamino)acetamide (PubChem CID 115621808) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(thian-4-ylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(thian-4-ylamino)acetamide
PubChem CID115621808
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-cyclohexyl-2-(thian-4-ylamino)acetamide
SMILESO=C(CNC1CCSCC1)NC1CCCCC1
InChIInChI=1S/C13H24N2OS/c16-13(15-12-4-2-1-3-5-12)10-14-11-6-8-17-9-7-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyGNLSSVITTQVHFD-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide
CID 60847953
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
2-(thian-4-ylamino)acetic acid
CID 43511382
N-cyclohexyl-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317870
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
CID 80714047
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
N-cyclohexyl-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63921753
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
N-cyclopentyl-2-(thiolan-3-ylmethylamino)acetamide
CID 107166294
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
2-chloro-N-(thian-4-yl)acetamide
CID 115879873

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(thian-4-ylamino)acetamide?
The IUPAC name of N-cyclohexyl-2-(thian-4-ylamino)acetamide (CID 115621808) is N-cyclohexyl-2-(thian-4-ylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(thian-4-ylamino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(thian-4-ylamino)acetamide is O=C(CNC1CCSCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(thian-4-ylamino)acetamide?
The InChIKey is GNLSSVITTQVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c16-13(15-12-4-2-1-3-5-12)10-14-11-6-8-17-9-7-11/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of N-cyclohexyl-2-(thian-4-ylamino)acetamide?
N-cyclohexyl-2-(thian-4-ylamino)acetamide has a molecular weight of 256.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(thian-4-ylamino)acetamide is sourced from PubChem (CID 115621808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).