(2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol

C10H21NS — CID 14857876

IUPAC(2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol
SMILESC[C@H](S)CN(C)C1CCCCC1
InChIInChI=1S/C10H21NS/c1-9(12)8-11(2)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyNMXURPSKQVJNKF-VIFPVBQESA-N
MW187.35 g/mol
LogP2.57
Rot. Bonds3

About (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol

(2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol (PubChem CID 14857876) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol.

Molecular Properties

Compound Name(2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol
PubChem CID14857876
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol
SMILESC[C@H](S)CN(C)C1CCCCC1
InChIInChI=1S/C10H21NS/c1-9(12)8-11(2)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyNMXURPSKQVJNKF-VIFPVBQESA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol?
The IUPAC name of (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol (CID 14857876) is (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol.
What is the SMILES notation for (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol?
The canonical SMILES for (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol is C[C@H](S)CN(C)C1CCCCC1.
What is the InChIKey of (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol?
The InChIKey is NMXURPSKQVJNKF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NS/c1-9(12)8-11(2)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol?
(2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol has a molecular weight of 187.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol is sourced from PubChem (CID 14857876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).