cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H24N2O3S — CID 106320449

IUPACcis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCSC1CCCCC1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O3S/c1-20-12-5-3-2-4-11(12)16-14(19)15-10-7-6-9(8-10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)/t9-,10+,11?,12?/m1/s1
InChIKeyKYCFILJACBAPJC-QKEWWQLBSA-N
MW300.42 g/mol
LogP2.21
Rot. Bonds4

About cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320449) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320449
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Namecis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCSC1CCCCC1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O3S/c1-20-12-5-3-2-4-11(12)16-14(19)15-10-7-6-9(8-10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)/t9-,10+,11?,12?/m1/s1
InChIKeyKYCFILJACBAPJC-QKEWWQLBSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 103843972
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381
3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103064106
4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63997378
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
3-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63999198
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114117009

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106320449) is cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid is CSC1CCCCC1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KYCFILJACBAPJC-QKEWWQLBSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-20-12-5-3-2-4-11(12)16-14(19)15-10-7-6-9(8-10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)/t9-,10+,11?,12?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).