N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine

C18H26N4S — CID 142582663

IUPACN-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine
SMILESCSN(CC1CCCN(c2ncnc3ccccc23)C1)C(C)C
InChIInChI=1S/C18H26N4S/c1-14(2)22(23-3)12-15-7-6-10-21(11-15)18-16-8-4-5-9-17(16)19-13-20-18/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3
InChIKeyKOZUZBMZQXBSSF-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.83
Rot. Bonds5

About N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine

N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 142582663) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID142582663
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC NameN-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine
SMILESCSN(CC1CCCN(c2ncnc3ccccc23)C1)C(C)C
InChIInChI=1S/C18H26N4S/c1-14(2)22(23-3)12-15-7-6-10-21(11-15)18-16-8-4-5-9-17(16)19-13-20-18/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3
InChIKeyKOZUZBMZQXBSSF-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
CID 168791226
4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317
4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133394964
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
CID 63854555
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine (CID 142582663) is N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine is CSN(CC1CCCN(c2ncnc3ccccc23)C1)C(C)C.
What is the InChIKey of N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is KOZUZBMZQXBSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-14(2)22(23-3)12-15-7-6-10-21(11-15)18-16-8-4-5-9-17(16)19-13-20-18/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3.
What are the key properties of N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 330.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 142582663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).