3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine

C10H21N3O2S — CID 106126063

IUPAC3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CNS(=O)(=O)NC2CC2)C1
InChIInChI=1S/C10H21N3O2S/c11-9-3-1-2-8(6-9)7-12-16(14,15)13-10-4-5-10/h8-10,12-13H,1-7,11H2
InChIKeyYKZUTBSJPGFIQD-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.09
Rot. Bonds5

About 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine

3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine (PubChem CID 106126063) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine
PubChem CID106126063
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CNS(=O)(=O)NC2CC2)C1
InChIInChI=1S/C10H21N3O2S/c11-9-3-1-2-8(6-9)7-12-16(14,15)13-10-4-5-10/h8-10,12-13H,1-7,11H2
InChIKeyYKZUTBSJPGFIQD-UHFFFAOYSA-N
XLogP0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine (CID 106126063) is 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine is NC1CCCC(CNS(=O)(=O)NC2CC2)C1.
What is the InChIKey of 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine?
The InChIKey is YKZUTBSJPGFIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c11-9-3-1-2-8(6-9)7-12-16(14,15)13-10-4-5-10/h8-10,12-13H,1-7,11H2.
What are the key properties of 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine?
3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106126063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).