N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C14H20N2O3S — CID 104927828

IUPACN-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H20N2O3S/c17-11-5-2-1-4-10(11)16-13(18)7-8-15-14(19)12-6-3-9-20-12/h3,6,9-11,17H,1-2,4-5,7-8H2,(H,15,19)(H,16,18)/t10-,11-/m1/s1
InChIKeyDDDKMUFBIXNBIO-GHMZBOCLSA-N
MW296.39 g/mol
LogP1.29
Rot. Bonds5

About N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 104927828) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID104927828
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H20N2O3S/c17-11-5-2-1-4-10(11)16-13(18)7-8-15-14(19)12-6-3-9-20-12/h3,6,9-11,17H,1-2,4-5,7-8H2,(H,15,19)(H,16,18)/t10-,11-/m1/s1
InChIKeyDDDKMUFBIXNBIO-GHMZBOCLSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841
N-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 39948332
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119428252
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 47439395
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 11896927
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 104927828) is N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is DDDKMUFBIXNBIO-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-11-5-2-1-4-10(11)16-13(18)7-8-15-14(19)12-6-3-9-20-12/h3,6,9-11,17H,1-2,4-5,7-8H2,(H,15,19)(H,16,18)/t10-,11-/m1/s1.
What are the key properties of N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 104927828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).