1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine

C12H25N3O2S — CID 120858500

IUPAC1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-12(2,13)10-14-6-3-7-15(9-8-14)18(16,17)11-4-5-11/h11H,3-10,13H2,1-2H3
InChIKeyYPNCRZCMIXLEMQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.22
Rot. Bonds4

About 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine

1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine (PubChem CID 120858500) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
PubChem CID120858500
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-12(2,13)10-14-6-3-7-15(9-8-14)18(16,17)11-4-5-11/h11H,3-10,13H2,1-2H3
InChIKeyYPNCRZCMIXLEMQ-UHFFFAOYSA-N
XLogP0.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine (CID 120858500) is 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine is CC(C)(N)CN1CCCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
The InChIKey is YPNCRZCMIXLEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-12(2,13)10-14-6-3-7-15(9-8-14)18(16,17)11-4-5-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 120858500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).