N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C14H27N3O3S — CID 63003999

IUPACN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)N1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-21(18,19)17-7-5-16(6-8-17)11-14(4-9-20-12-14)10-15-13-2-3-13/h13,15H,2-12H2,1H3
InChIKeyZCKRUVCTGVNODM-UHFFFAOYSA-N
MW317.46 g/mol
LogP-0.28
Rot. Bonds6

About N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 63003999) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID63003999
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)N1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-21(18,19)17-7-5-16(6-8-17)11-14(4-9-20-12-14)10-15-13-2-3-13/h13,15H,2-12H2,1H3
InChIKeyZCKRUVCTGVNODM-UHFFFAOYSA-N
XLogP-0.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55133515
2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55133714
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55215445
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256840
N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62261496
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62262783
N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62270252
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 63003823
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 63003824
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
[3-[(4-Methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 63004883
4-[(4-Methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine
CID 66237333

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 63003999) is N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CS(=O)(=O)N1CCN(CC2(CNC3CC3)CCOC2)CC1.
What is the InChIKey of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is ZCKRUVCTGVNODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-21(18,19)17-7-5-16(6-8-17)11-14(4-9-20-12-14)10-15-13-2-3-13/h13,15H,2-12H2,1H3.
What are the key properties of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 317.46 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63003999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).