N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine

C14H29N3OS — CID 178004259

IUPACN-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine
SMILESCC(C)C1CCN(C2CCN(SN(C)O)CC2)CC1
InChIInChI=1S/C14H29N3OS/c1-12(2)13-4-8-16(9-5-13)14-6-10-17(11-7-14)19-15(3)18/h12-14,18H,4-11H2,1-3H3
InChIKeyCHSDUVAZBKSISV-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.70
Rot. Bonds4

About N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine

N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine (PubChem CID 178004259) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine
PubChem CID178004259
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC NameN-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine
SMILESCC(C)C1CCN(C2CCN(SN(C)O)CC2)CC1
InChIInChI=1S/C14H29N3OS/c1-12(2)13-4-8-16(9-5-13)14-6-10-17(11-7-14)19-15(3)18/h12-14,18H,4-11H2,1-3H3
InChIKeyCHSDUVAZBKSISV-UHFFFAOYSA-N
XLogP2.70
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine?
The IUPAC name of N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine (CID 178004259) is N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine.
What is the SMILES notation for N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine?
The canonical SMILES for N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine is CC(C)C1CCN(C2CCN(SN(C)O)CC2)CC1.
What is the InChIKey of N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine?
The InChIKey is CHSDUVAZBKSISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-12(2)13-4-8-16(9-5-13)14-6-10-17(11-7-14)19-15(3)18/h12-14,18H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine?
N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine has a molecular weight of 287.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]sulfanylhydroxylamine is sourced from PubChem (CID 178004259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).