1-amino-4-[(sulfamoylamino)methyl]cyclohexane

C7H17N3O2S — CID 106126480

IUPAC1-amino-4-[(sulfamoylamino)methyl]cyclohexane
SMILESNC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O2S/c8-7-3-1-6(2-4-7)5-10-13(9,11)12/h6-7,10H,1-5,8H2,(H2,9,11,12)
InChIKeyDRLBMYAUKUUXCN-UHFFFAOYSA-N
MW207.30 g/mol
LogP-0.70
Rot. Bonds3

About 1-amino-4-[(sulfamoylamino)methyl]cyclohexane

1-amino-4-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 106126480) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-amino-4-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-amino-4-[(sulfamoylamino)methyl]cyclohexane
PubChem CID106126480
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name1-amino-4-[(sulfamoylamino)methyl]cyclohexane
SMILESNC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O2S/c8-7-3-1-6(2-4-7)5-10-13(9,11)12/h6-7,10H,1-5,8H2,(H2,9,11,12)
InChIKeyDRLBMYAUKUUXCN-UHFFFAOYSA-N
XLogP-0.70
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-amino-4-[(sulfamoylamino)methyl]cyclohexane (CID 106126480) is 1-amino-4-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-amino-4-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-amino-4-[(sulfamoylamino)methyl]cyclohexane is NC1CCC(CNS(N)(=O)=O)CC1.
What is the InChIKey of 1-amino-4-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is DRLBMYAUKUUXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c8-7-3-1-6(2-4-7)5-10-13(9,11)12/h6-7,10H,1-5,8H2,(H2,9,11,12).
What are the key properties of 1-amino-4-[(sulfamoylamino)methyl]cyclohexane?
1-amino-4-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 207.30 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 106126480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).