1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane

C8H18N2O2S — CID 69158754

IUPAC1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane
SMILESNCC1CCC(CNS(=O)O)CC1
InChIInChI=1S/C8H18N2O2S/c9-5-7-1-3-8(4-2-7)6-10-13(11)12/h7-8,10H,1-6,9H2,(H,11,12)
InChIKeyMRVSGXFZTROONN-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.48
Rot. Bonds4

About 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane

1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane (PubChem CID 69158754) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane
PubChem CID69158754
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane
SMILESNCC1CCC(CNS(=O)O)CC1
InChIInChI=1S/C8H18N2O2S/c9-5-7-1-3-8(4-2-7)6-10-13(11)12/h7-8,10H,1-6,9H2,(H,11,12)
InChIKeyMRVSGXFZTROONN-UHFFFAOYSA-N
XLogP0.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
1-(aminomethyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 123446235
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine
CID 79534182
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 59867972
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
CID 142934377
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
CID 143996917
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane (CID 69158754) is 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane is NCC1CCC(CNS(=O)O)CC1.
What is the InChIKey of 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane?
The InChIKey is MRVSGXFZTROONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c9-5-7-1-3-8(4-2-7)6-10-13(11)12/h7-8,10H,1-6,9H2,(H,11,12).
What are the key properties of 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane?
1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane has a molecular weight of 206.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[(sulfinoamino)methyl]cyclohexane is sourced from PubChem (CID 69158754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).