[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine

C15H29N3O2S — CID 58561919

IUPAC[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESNCC1(N2CCN(S(=O)(=O)CC3CC3)CC2)CCCCC1
InChIInChI=1S/C15H29N3O2S/c16-13-15(6-2-1-3-7-15)17-8-10-18(11-9-17)21(19,20)12-14-4-5-14/h14H,1-13,16H2
InChIKeyLCBLDPOBYOJNSH-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.01
Rot. Bonds5

About [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine

[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 58561919) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID58561919
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESNCC1(N2CCN(S(=O)(=O)CC3CC3)CC2)CCCCC1
InChIInChI=1S/C15H29N3O2S/c16-13-15(6-2-1-3-7-15)17-8-10-18(11-9-17)21(19,20)12-14-4-5-14/h14H,1-13,16H2
InChIKeyLCBLDPOBYOJNSH-UHFFFAOYSA-N
XLogP1.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine (CID 58561919) is [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine is NCC1(N2CCN(S(=O)(=O)CC3CC3)CC2)CCCCC1.
What is the InChIKey of [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is LCBLDPOBYOJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c16-13-15(6-2-1-3-7-15)17-8-10-18(11-9-17)21(19,20)12-14-4-5-14/h14H,1-13,16H2.
What are the key properties of [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine?
[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 315.48 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 58561919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).