1-amino-1-[(sulfinoamino)methyl]cyclohexane

C7H16N2O2S — CID 155223063

IUPAC1-amino-1-[(sulfinoamino)methyl]cyclohexane
SMILESNC1(CNS(=O)O)CCCCC1
InChIInChI=1S/C7H16N2O2S/c8-7(6-9-12(10)11)4-2-1-3-5-7/h9H,1-6,8H2,(H,10,11)
InChIKeyMKUYSNXZINMGCI-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.37
Rot. Bonds3

About 1-amino-1-[(sulfinoamino)methyl]cyclohexane

1-amino-1-[(sulfinoamino)methyl]cyclohexane (PubChem CID 155223063) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-amino-1-[(sulfinoamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-amino-1-[(sulfinoamino)methyl]cyclohexane
PubChem CID155223063
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-amino-1-[(sulfinoamino)methyl]cyclohexane
SMILESNC1(CNS(=O)O)CCCCC1
InChIInChI=1S/C7H16N2O2S/c8-7(6-9-12(10)11)4-2-1-3-5-7/h9H,1-6,8H2,(H,10,11)
InChIKeyMKUYSNXZINMGCI-UHFFFAOYSA-N
XLogP0.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[(sulfinoamino)methyl]cyclohexane?
The IUPAC name of 1-amino-1-[(sulfinoamino)methyl]cyclohexane (CID 155223063) is 1-amino-1-[(sulfinoamino)methyl]cyclohexane.
What is the SMILES notation for 1-amino-1-[(sulfinoamino)methyl]cyclohexane?
The canonical SMILES for 1-amino-1-[(sulfinoamino)methyl]cyclohexane is NC1(CNS(=O)O)CCCCC1.
What is the InChIKey of 1-amino-1-[(sulfinoamino)methyl]cyclohexane?
The InChIKey is MKUYSNXZINMGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-7(6-9-12(10)11)4-2-1-3-5-7/h9H,1-6,8H2,(H,10,11).
What are the key properties of 1-amino-1-[(sulfinoamino)methyl]cyclohexane?
1-amino-1-[(sulfinoamino)methyl]cyclohexane has a molecular weight of 192.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[(sulfinoamino)methyl]cyclohexane is sourced from PubChem (CID 155223063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).