N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide

C16H25NO2S — CID 111333038

IUPACN-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
SMILESO=C(CCCCCc1cccs1)NCC1(O)CCCC1
InChIInChI=1S/C16H25NO2S/c18-15(17-13-16(19)10-4-5-11-16)9-3-1-2-7-14-8-6-12-20-14/h6,8,12,19H,1-5,7,9-11,13H2,(H,17,18)
InChIKeyHOPTYUBJRPPRHS-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.27
Rot. Bonds8

About N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide

N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide (PubChem CID 111333038) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
PubChem CID111333038
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
SMILESO=C(CCCCCc1cccs1)NCC1(O)CCCC1
InChIInChI=1S/C16H25NO2S/c18-15(17-13-16(19)10-4-5-11-16)9-3-1-2-7-14-8-6-12-20-14/h6,8,12,19H,1-5,7,9-11,13H2,(H,17,18)
InChIKeyHOPTYUBJRPPRHS-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide
CID 115271547
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
6-thiophen-2-ylhexanamide
CID 137320292
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
2-[1-[(3-thiophen-2-ylpropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164192
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
5-thiophen-2-ylpentanehydrazide
CID 70194284
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
CID 111859435
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
CID 110303146

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide (CID 111333038) is N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide is O=C(CCCCCc1cccs1)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide?
The InChIKey is HOPTYUBJRPPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c18-15(17-13-16(19)10-4-5-11-16)9-3-1-2-7-14-8-6-12-20-14/h6,8,12,19H,1-5,7,9-11,13H2,(H,17,18).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide?
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide has a molecular weight of 295.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide is sourced from PubChem (CID 111333038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).