cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine

C12H23NS2 — CID 124677579

IUPACcis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine
SMILESCCS[C@@H]1CC[C@H](NC[C@@H]2CCSC2)C1
InChIInChI=1S/C12H23NS2/c1-2-15-12-4-3-11(7-12)13-8-10-5-6-14-9-10/h10-13H,2-9H2,1H3/t10-,11-,12+/m0/s1
InChIKeyNYQRONLGECOGMV-SDDRHHMPSA-N
MW245.46 g/mol
LogP3.00
Rot. Bonds5

About cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine

cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine (PubChem CID 124677579) has the molecular formula C12H23NS2 and a molecular weight of 245.46 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine
PubChem CID124677579
Molecular FormulaC12H23NS2
Molecular Weight245.46 g/mol
Exact Mass245.13
IUPAC Namecis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine
SMILESCCS[C@@H]1CC[C@H](NC[C@@H]2CCSC2)C1
InChIInChI=1S/C12H23NS2/c1-2-15-12-4-3-11(7-12)13-8-10-5-6-14-9-10/h10-13H,2-9H2,1H3/t10-,11-,12+/m0/s1
InChIKeyNYQRONLGECOGMV-SDDRHHMPSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441
2-ethyl-N-(thiolan-3-ylmethyl)cyclopropan-1-amine
CID 107166344
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
CID 115907891
N-(thiolan-3-ylmethyl)cyclohex-3-en-1-amine
CID 107132186
3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732676
1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine
CID 107295361
4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
CID 114122927
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine (CID 124677579) is cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine is CCS[C@@H]1CC[C@H](NC[C@@H]2CCSC2)C1.
What is the InChIKey of cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine?
The InChIKey is NYQRONLGECOGMV-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H23NS2/c1-2-15-12-4-3-11(7-12)13-8-10-5-6-14-9-10/h10-13H,2-9H2,1H3/t10-,11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine has a molecular weight of 245.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 124677579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).