1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine

C13H29N3O2S — CID 62009632

IUPAC1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C13H29N3O2S/c1-5-10-16(13(11-14)8-6-7-9-13)19(17,18)15(4)12(2)3/h12H,5-11,14H2,1-4H3
InChIKeyJUXDDBMNDQAZKJ-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.55
Rot. Bonds7

About 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine

1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine (PubChem CID 62009632) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine
PubChem CID62009632
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C13H29N3O2S/c1-5-10-16(13(11-14)8-6-7-9-13)19(17,18)15(4)12(2)3/h12H,5-11,14H2,1-4H3
InChIKeyJUXDDBMNDQAZKJ-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine (CID 62009632) is 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine is CCCN(C1(CN)CCCC1)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine?
The InChIKey is JUXDDBMNDQAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-5-10-16(13(11-14)8-6-7-9-13)19(17,18)15(4)12(2)3/h12H,5-11,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine?
1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[methyl(propan-2-yl)sulfamoyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62009632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).